ChemDiv3_007396
TL;DR: ChemDiv3_007396 (CAS 730992-42-4) is a chemical compound with molecular formula C11H10N2O3S and molecular weight 250.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-methyl-2-oxo-6-thia-1,8-diazatricyclo[7.3.0.03,7]dodeca-3(7),4,8-triene-5-carboxylic acid
Also Known As: ChemDiv3_007396, 3-methyl-4-oxo-4,6,7,8-tetrahydropyrrolo[1,2-a]thieno[2,3-d]pyrimidine-2-carboxylic acid, BAS 11570697, IDI1_025306, 4-Methyl-2-oxo-6-thia-1,8-diazatricyclo[7.3.0.0,3,7]dodeca-3(7),4,8-triene-5-carboxylic acid
| Molecular Formula | C11H10N2O3S |
|---|---|
| Molecular Weight | 250.04 g/mol |
| LogP | 1.41082 |
| Topological Polar Surface Area | 72.19 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 250.04121 |
| Heavy Atoms | 17 |
| Complexity | 698.785 |
Chemical Identifiers
| CAS Number | 730992-42-4 |
|---|---|
| SMILES | CC1=C(SC2=C1C(=O)N3CCCC3=N2)C(=O)O |
Product Overview
ChemDiv3_007396 (CAS 730992-42-4), with molecular formula C11H10N2O3S and molecular weight 250.04 g/mol. IUPAC: 4-methyl-2-oxo-6-thia-1,8-diazatricyclo[7.3.0.03,7]dodeca-3(7),4,8-triene-5-carboxylic acid.
Chemical Property Profile of ChemDiv3_007396
Property Insights of ChemDiv3_007396
The XLogP value of 1.41082 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ChemDiv3_007396. The TPSA of 72.19 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv3_007396. Following Lipinski's Rule of Five, ChemDiv3_007396 has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of ChemDiv3_007396?
The CAS number of ChemDiv3_007396 is 730992-42-4.
What is the molecular formula of ChemDiv3_007396?
The molecular formula of ChemDiv3_007396 is C11H10N2O3S.
What is the molecular weight of ChemDiv3_007396?
The molecular weight of ChemDiv3_007396 is 250.04 g/mol.
Where can I buy ChemDiv3_007396?
You can request a quote for ChemDiv3_007396 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv3_007396?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv3_007396 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.